[2-(methylamino)-2-oxidanylidene-ethyl] (2S)-2-[(2-bromophenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [2-(methylamino)-2-oxidanylidene-ethyl] (2S)-2-[(2-bromophenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-(methylamino)-2-oxo-ethyl] (2S)-2-[(2-bromobenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(2-bromophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [2-(methylamino)-2-oxoethyl] ester IUPAC Name: [2-(methylamino)-2-oxoethyl] (2S)-2-[(2-bromobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(2-bromobenzoyl)amino]-4-(methylthio)butyric acid [2-keto-2-(methylamino)ethyl] ester Formula: C15H19BrN2O4S MolecularWeight: 403.29136

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)COC(=O)C(CCSC)NC(=O)C1=CC=CC=C1Br

Isomeric SMILES

CNC(=O)COC(=O)[C@H](CCSC)NC(=O)C1=CC=CC=C1Br

InChI

InChI=1S/C15H19BrN2O4S/c1-17-13(19)9-22-15(21)12(7-8-23-2)18-14(20)10-5-3-4-6-11(10)16/h3-6,12H,7-9H2,1-2H3,(H,17,19)(H,18,20)/t12-/m0/s1